Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 11/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.32 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.32 |
| ▸ | HTR3B | O95264 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.32 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.32 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3935558 | 1.00 | NOS1 (0.39) | NOS1CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL13962398 | 1.00 | NOS1 (0.39) | NOS1CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL13962303 | 0.95 | NOS1 (0.42) | NOS1NOS3NOS2SIGMAR1HTR3E | |
| SCHEMBL7260907 | 0.78 | NOS1 (0.56) | NOS1TDP1ESR1ESR2NOS3 | |
| SCHEMBL7260909 | 0.78 | NOS1 (0.56) | NOS1TDP1ESR1ESR2NOS3 | |
| SCHEMBL14368024 | 0.70 | SIGMAR1 (0.57) | NOS1NOS2SIGMAR1 | |
| SCHEMBL10676961 | 0.69 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL14367991 | 0.69 | SIGMAR1 (0.55) | NOS1NOS3NOS2SIGMAR1 | |
| SCHEMBL14368068 | 0.68 | NOS1 (0.39) | NOS1CYP3A4NOS2SIGMAR1HTR3E | |
| Hydrochloric Acid SCHEMBL10675010 | 0.67 | CYP3A4 (0.52) | CYP3A4TDP1ESR1ESR2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009013525-A1 | PHASE SWITCHABLE CATALYSTS | THE UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) | 2009-01-29 | — | — | WO | disclosed |
| WO-2009013525-A1 | PHASE SWITCHABLE CATALYSTS | THE UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) | 2009-01-29 | — | — | WO | disclosed |